2-[[[2-(3-chlorophenoxy)-2-methylpropanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid

C15H15ClN2O4S — CID 119245356

IUPAC2-[[[2-(3-chlorophenoxy)-2-methylpropanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)(Oc1cccc(Cl)c1)C(=O)NCc1nc(C(=O)O)cs1
InChIInChI=1S/C15H15ClN2O4S/c1-15(2,22-10-5-3-4-9(16)6-10)14(21)17-7-12-18-11(8-23-12)13(19)20/h3-6,8H,7H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyAHWNKAZLIAZJET-UHFFFAOYSA-N
MW354.82 g/mol
LogP2.97
Rot. Bonds6

About 2-[[[2-(3-chlorophenoxy)-2-methylpropanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid

2-[[[2-(3-chlorophenoxy)-2-methylpropanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 119245356) has the molecular formula C15H15ClN2O4S and a molecular weight of 354.82 g/mol. Its IUPAC name is 2-[[[2-(3-chlorophenoxy)-2-methylpropanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[[2-(3-chlorophenoxy)-2-methylpropanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID119245356
Molecular FormulaC15H15ClN2O4S
Molecular Weight354.82 g/mol
Exact Mass354.04
IUPAC Name2-[[[2-(3-chlorophenoxy)-2-methylpropanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)(Oc1cccc(Cl)c1)C(=O)NCc1nc(C(=O)O)cs1
InChIInChI=1S/C15H15ClN2O4S/c1-15(2,22-10-5-3-4-9(16)6-10)14(21)17-7-12-18-11(8-23-12)13(19)20/h3-6,8H,7H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyAHWNKAZLIAZJET-UHFFFAOYSA-N
XLogP2.97
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[[2-(3-chlorophenoxy)-2-methylpropanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenoxy)-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 51315956
2-[[(2-amino-2-methylpropanoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379345
2-[[(2-amino-2-phenylpropanoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380511
2-[[(2,5-dichlorobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379482
2-[[(2,2,2-trifluoroacetyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381434
2-[[[2-(ethylamino)-2-methylpropanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66378761
2-[[[2-(3,4-diethoxyphenyl)-2-methylpropanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 120687751
2-[[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 71915478
2-(3-chlorophenoxy)-2-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]propanamide
CID 86965050
1-[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 82304946
2-[[(3-methylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380639
2-[[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245016

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(3-chlorophenoxy)-2-methylpropanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[[2-(3-chlorophenoxy)-2-methylpropanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid (CID 119245356) is 2-[[[2-(3-chlorophenoxy)-2-methylpropanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[[2-(3-chlorophenoxy)-2-methylpropanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[[2-(3-chlorophenoxy)-2-methylpropanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid is CC(C)(Oc1cccc(Cl)c1)C(=O)NCc1nc(C(=O)O)cs1.
What is the InChIKey of 2-[[[2-(3-chlorophenoxy)-2-methylpropanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is AHWNKAZLIAZJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4S/c1-15(2,22-10-5-3-4-9(16)6-10)14(21)17-7-12-18-11(8-23-12)13(19)20/h3-6,8H,7H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 2-[[[2-(3-chlorophenoxy)-2-methylpropanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
2-[[[2-(3-chlorophenoxy)-2-methylpropanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 354.82 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(3-chlorophenoxy)-2-methylpropanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 119245356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).